UCSF

ZINC22774336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 7.3 -48.94 2 4 1 44 304.341 5
Mid Mid (pH 6-8) 2.50 5.94 -10.65 1 4 0 40 303.333 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )